2-(2-thiophen-2-ylethylamino)cyclopentane-1-carbonitrile

C12H16N2S — CID 62742394

IUPAC2-(2-thiophen-2-ylethylamino)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1NCCc1cccs1
InChIInChI=1S/C12H16N2S/c13-9-10-3-1-5-12(10)14-7-6-11-4-2-8-15-11/h2,4,8,10,12,14H,1,3,5-7H2
InChIKeyAVTZATJPSRUBKH-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.57
Rot. Bonds4

About 2-(2-thiophen-2-ylethylamino)cyclopentane-1-carbonitrile

2-(2-thiophen-2-ylethylamino)cyclopentane-1-carbonitrile (PubChem CID 62742394) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylethylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-thiophen-2-ylethylamino)cyclopentane-1-carbonitrile
PubChem CID62742394
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name2-(2-thiophen-2-ylethylamino)cyclopentane-1-carbonitrile
SMILESN#CC1CCCC1NCCc1cccs1
InChIInChI=1S/C12H16N2S/c13-9-10-3-1-5-12(10)14-7-6-11-4-2-8-15-11/h2,4,8,10,12,14H,1,3,5-7H2
InChIKeyAVTZATJPSRUBKH-UHFFFAOYSA-N
XLogP2.57
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(furan-2-yl)ethylamino]cyclopentane-1-carbonitrile
CID 62741692
2-[2-(5-chlorothiophen-2-yl)ethylamino]cycloheptane-1-carbonitrile
CID 114140415
(2S,3R)-2-methyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine
CID 97358153
2-[2-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile
CID 62743682
N-propyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 55237095
4-chloro-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 65023554
N-methyl-2-(2-thiophen-2-ylethyl)cyclopentan-1-amine
CID 63776082
1-cyclobutyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 115706476
2-(1-thiophen-2-ylpropylamino)cycloheptane-1-carbonitrile
CID 55114712
2-(thiophen-2-ylmethoxy)cycloheptane-1-carbonitrile
CID 114997035
2-(1-thiophen-2-ylethylamino)cycloheptane-1-carbonitrile
CID 62741305
2-[(5-ethylthiophen-2-yl)methylamino]cyclopentane-1-carbonitrile
CID 62962759

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylethylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(2-thiophen-2-ylethylamino)cyclopentane-1-carbonitrile (CID 62742394) is 2-(2-thiophen-2-ylethylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(2-thiophen-2-ylethylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(2-thiophen-2-ylethylamino)cyclopentane-1-carbonitrile is N#CC1CCCC1NCCc1cccs1.
What is the InChIKey of 2-(2-thiophen-2-ylethylamino)cyclopentane-1-carbonitrile?
The InChIKey is AVTZATJPSRUBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c13-9-10-3-1-5-12(10)14-7-6-11-4-2-8-15-11/h2,4,8,10,12,14H,1,3,5-7H2.
What are the key properties of 2-(2-thiophen-2-ylethylamino)cyclopentane-1-carbonitrile?
2-(2-thiophen-2-ylethylamino)cyclopentane-1-carbonitrile has a molecular weight of 220.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-ylethylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 62742394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).